methyl 2-[2-(4-ethylsulfonylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(4-ethylsulfonylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(4-ethylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(4-ethylsulfonylphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-ethylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-esylbenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C19H18N2O5S2 MolecularWeight: 418.48662

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=CC=CC=C3S2)CC(=O)OC

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=CC=CC=C3S2)CC(=O)OC

InChI

InChI=1S/C19H18N2O5S2/c1-3-28(24,25)14-10-8-13(9-11-14)18(23)20-19-21(12-17(22)26-2)15-6-4-5-7-16(15)27-19/h4-11H,3,12H2,1-2H3